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wang_landau_reaction_ensemble.py: use np.transpose #3312

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Nov 20, 2019
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wang_landau_reaction_ensemble.py: use np.transpose #3312

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2 changes: 1 addition & 1 deletion testsuite/python/wang_landau_reaction_ensemble.py
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Original file line number Diff line number Diff line change
Expand Up @@ -78,7 +78,7 @@ class ReactionEnsembleTest(ut.TestCase):
# generate preliminary_energy_run_results here, this should be done in a
# separate simulation without energy reweighting using the update energy
# functions
np.savetxt("energy_boundaries.dat", np.c_[[0, 1], [0, 0], [9, 9]],
np.savetxt("energy_boundaries.dat", np.transpose([[0, 1], [0, 0], [9, 9]]),
delimiter='\t', header="nbar E_potmin E_potmax")

WLRE.add_collective_variable_degree_of_association(
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